5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile

C8H4FN5 — CID 122445419

IUPAC5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C8H4FN5/c9-6-2-13-14(5-6)8-4-11-7(1-10)3-12-8/h2-5H
InChIKeyXHAHKRZTIUYNNK-UHFFFAOYSA-N
MW189.15 g/mol
LogP0.67
Rot. Bonds1

About 5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile

5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile (PubChem CID 122445419) has the molecular formula C8H4FN5 and a molecular weight of 189.15 g/mol. Its IUPAC name is 5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile
PubChem CID122445419
Molecular FormulaC8H4FN5
Molecular Weight189.15 g/mol
Exact Mass189.05
IUPAC Name5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C8H4FN5/c9-6-2-13-14(5-6)8-4-11-7(1-10)3-12-8/h2-5H
InChIKeyXHAHKRZTIUYNNK-UHFFFAOYSA-N
XLogP0.67
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.15
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile (CID 122445419) is 5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile is N#Cc1cnc(-n2cc(F)cn2)cn1.
What is the InChIKey of 5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile?
The InChIKey is XHAHKRZTIUYNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FN5/c9-6-2-13-14(5-6)8-4-11-7(1-10)3-12-8/h2-5H.
What are the key properties of 5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile?
5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile has a molecular weight of 189.15 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoropyrazol-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 122445419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).